SCHEMBL10329935

SCHEMBL10329935

COc1nccc(C)c1N=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ APLNR P35414 1/20 0.35
▸ CCR1 P32246 2/20 0.33
▸ CCR5 P51681 2/20 0.33
▸ CCR8 P51685 2/20 0.33
▸ MGMT P16455 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NOS3 P29474 2/20 0.32
▸ NOS2 P35228 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PLAU P00749 1/20 0.32
▸ ELANE P08246 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ TTK P33981 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18811973 0.79 PLAU (0.38) CCNA2CDK2CCNA1APLNRCCR1
SCHEMBL6792963 0.73 NOS3 (0.48) APLNRCCR1CCR5CCR8NOS3
SCHEMBL21567478 0.72 CCR1 (0.35) CCR1CCR5CCR8MAPTNOS3
SCHEMBL12051932 0.72 MAPT (0.36) CCR1CCR5CCR8MAPTNOS3
SCHEMBL12528205 0.72 NOS2 (0.54) CCNA2CDK2CCNA1CCR1CCR5
SCHEMBL12051931 0.72 RXFP1 (0.36) CCR1CCR5CCR8MAPTNOS3
SCHEMBL23624004 0.71 CCR1 (0.38) APLNRCCR1CCR5CCR8NOS3
SCHEMBL26361648 0.71 MAOA (0.41) APLNRCCR1CCR5CCR8NOS3
SCHEMBL5942324 0.69 DRD1 (0.39) APLNRCCR1CCR5CCR8MAPT
SCHEMBL24457916 0.69 CCR1 (0.37) APLNRCCR1CCR5CCR8MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 — — US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 — — US disclosed
US-20110311516-A1 Chemically Programmed Vaccination THE SCRIPPS RESEARCH INSTITUTE (US) 2011-12-22 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP CCNA2 358/4885CDK2 85/4885CCNA1 115/4885
US-20110311516-A1 Chemically Programmed Vaccination CD69, CD4, ICOS CCNA2 3294/4885CDK2 2642/4885CCNA1 3976/4885
US-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 CCNA2 1552/4885CDK2 782/4885CCNA1 1065/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CCNA2 1552/4885CDK2 782/4885CCNA1 1065/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback